1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone

C19H29NO — CID 102557219

IUPAC1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
SMILESO=C(CC1CC2CCC1C2)N1CCCC2(CC=CCC2)C1
InChIInChI=1S/C19H29NO/c21-18(13-17-12-15-5-6-16(17)11-15)20-10-4-9-19(14-20)7-2-1-3-8-19/h1-2,15-17H,3-14H2
InChIKeyMDKOESZMMOWMLX-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.16
Rot. Bonds2

About 1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone

1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone (PubChem CID 102557219) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone.

Molecular Properties

Compound Name1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
PubChem CID102557219
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
SMILESO=C(CC1CC2CCC1C2)N1CCCC2(CC=CCC2)C1
InChIInChI=1S/C19H29NO/c21-18(13-17-12-15-5-6-16(17)11-15)20-10-4-9-19(14-20)7-2-1-3-8-19/h1-2,15-17H,3-14H2
InChIKeyMDKOESZMMOWMLX-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 113344037
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079735
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079737
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 102978450
1-(4-acetylpiperazin-1-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 78783667
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 47024305
1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 107159957
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloropyrrolidin-1-yl)ethanone
CID 63398230
1-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-2-(3-methylbutylsulfanyl)ethanone
CID 99808110
2-azaspiro[5.5]undec-9-en-2-yl-(1-benzylsulfonylpiperidin-4-yl)methanone
CID 86951830
1-[3-(azetidin-1-yl)pyrrolidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 126832728
2-azaspiro[5.5]undec-9-en-2-yl(1,3-thiazolidin-3-yl)methanone
CID 13141786

Frequently Asked Questions

What is the IUPAC name of 1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone?
The IUPAC name of 1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone (CID 102557219) is 1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone.
What is the SMILES notation for 1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone?
The canonical SMILES for 1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone is O=C(CC1CC2CCC1C2)N1CCCC2(CC=CCC2)C1.
What is the InChIKey of 1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone?
The InChIKey is MDKOESZMMOWMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c21-18(13-17-12-15-5-6-16(17)11-15)20-10-4-9-19(14-20)7-2-1-3-8-19/h1-2,15-17H,3-14H2.
What are the key properties of 1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone?
1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone has a molecular weight of 287.45 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azaspiro[5.5]undec-9-en-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone is sourced from PubChem (CID 102557219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).